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DocumentationIdentifier: MM227922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227922 |
| SMILES |
CCC(C)(C)CCC(C)=O
|
| InChIKey |
OPKLWRDIYNLJGA-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144221
Similarity: 0.7879
Similarity to MM144221
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250603
Similarity: 0.7536
Similarity to MM250603
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8631 |
| Dice metric | 0.8595 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340385
Similarity: 0.7429
Similarity to MM340385
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8525 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
